Benzimidazole Macromolecules from 2‐Mercaptobenzimidazole: Synthesis, Characterization, and Molecular Docking Studies

The research involves the preparation of 2–hydrazinobenzoimidazole (N1) from the reaction of the compound 2‐tetrabenzoimidazole with aqueous hydrazine. A number of hydrazones (N2, N3) are prepared by the reaction of the compound (N1) with benzaldehyde derivatives. Thiazolidinone (N4) is also prepared by cyclization of the hydrazone compound (N3) using thioglycolic acid. As for the compound (N5), it is obtained from the reaction of the compound 2‐mercaptobenzimidazole with ethyl chloroacetate in the presence of alcoholic potassium hydroxide. The newly synthesized compounds show a very good interaction through the docking score compared to co‐crystalline ligand of each protein and in the same time the docking score is better than approved antibiotic in some cases. Furthermore, the study concluded that the compound N2 displayed the best and safest docking specifications out of all the compounds.